N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide

C13H6BrClFN3O3 — CID 43972821

IUPACN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)o2)o1)c1c(F)cccc1Cl
InChIInChI=1S/C13H6BrClFN3O3/c14-9-5-4-8(21-9)12-18-19-13(22-12)17-11(20)10-6(15)2-1-3-7(10)16/h1-5H,(H,17,19,20)
InChIKeyHTMGVRAOECWDAC-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.14
Rot. Bonds3

About N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide

N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide (PubChem CID 43972821) has the molecular formula C13H6BrClFN3O3 and a molecular weight of 386.56 g/mol. Its IUPAC name is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide
PubChem CID43972821
Molecular FormulaC13H6BrClFN3O3
Molecular Weight386.56 g/mol
Exact Mass384.93
IUPAC NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)o2)o1)c1c(F)cccc1Cl
InChIInChI=1S/C13H6BrClFN3O3/c14-9-5-4-8(21-9)12-18-19-13(22-12)17-11(20)10-6(15)2-1-3-7(10)16/h1-5H,(H,17,19,20)
InChIKeyHTMGVRAOECWDAC-UHFFFAOYSA-N
XLogP4.14
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide
CID 43972822
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 43972670
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide
CID 71962268
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 43972580
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 43972703
4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972644
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 43972655
methyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43972665
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
CID 43972807
2,6-difluoro-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4581521
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 43972651
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide (CID 43972821) is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide is O=C(Nc1nnc(-c2ccc(Br)o2)o1)c1c(F)cccc1Cl.
What is the InChIKey of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide?
The InChIKey is HTMGVRAOECWDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClFN3O3/c14-9-5-4-8(21-9)12-18-19-13(22-12)17-11(20)10-6(15)2-1-3-7(10)16/h1-5H,(H,17,19,20).
What are the key properties of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide?
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide has a molecular weight of 386.56 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 43972821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).